[(E)-prop-1-enoxy]cycloheptane

C10H18O — CID 68848418

IUPAC[(E)-prop-1-enoxy]cycloheptane
SMILESC/C=C/OC1CCCCCC1
InChIInChI=1S/C10H18O/c1-2-9-11-10-7-5-3-4-6-8-10/h2,9-10H,3-8H2,1H3/b9-2+
InChIKeyFDOVUQSJCOOMKH-XNWCZRBMSA-N
MW154.25 g/mol
LogP3.26
Rot. Bonds2

About [(E)-prop-1-enoxy]cycloheptane

[(E)-prop-1-enoxy]cycloheptane (PubChem CID 68848418) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is [(E)-prop-1-enoxy]cycloheptane.

Molecular Properties

Compound Name[(E)-prop-1-enoxy]cycloheptane
PubChem CID68848418
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name[(E)-prop-1-enoxy]cycloheptane
SMILESC/C=C/OC1CCCCCC1
InChIInChI=1S/C10H18O/c1-2-9-11-10-7-5-3-4-6-8-10/h2,9-10H,3-8H2,1H3/b9-2+
InChIKeyFDOVUQSJCOOMKH-XNWCZRBMSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-prop-1-enoxy]cycloheptane?
The IUPAC name of [(E)-prop-1-enoxy]cycloheptane (CID 68848418) is [(E)-prop-1-enoxy]cycloheptane.
What is the SMILES notation for [(E)-prop-1-enoxy]cycloheptane?
The canonical SMILES for [(E)-prop-1-enoxy]cycloheptane is C/C=C/OC1CCCCCC1.
What is the InChIKey of [(E)-prop-1-enoxy]cycloheptane?
The InChIKey is FDOVUQSJCOOMKH-XNWCZRBMSA-N. The full InChI is InChI=1S/C10H18O/c1-2-9-11-10-7-5-3-4-6-8-10/h2,9-10H,3-8H2,1H3/b9-2+.
What are the key properties of [(E)-prop-1-enoxy]cycloheptane?
[(E)-prop-1-enoxy]cycloheptane has a molecular weight of 154.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-prop-1-enoxy]cycloheptane is sourced from PubChem (CID 68848418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).